USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 322 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.129 (180deg=-0.443) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.5) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 20 SER OG : rot 44:sc= 0.0816 USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0103) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -46:sc= 0.0234 USER MOD Single : A 33 ASN : amide:sc= -0.0915 X(o=-0.092,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -0.0947 (180deg=-0.459) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.284 -1.898 -5.920 1.00 43.13 N ATOM 2 CA MET A 1 0.935 -0.976 -4.996 1.00 62.24 C ATOM 3 C MET A 1 1.759 -1.735 -3.961 1.00 70.42 C ATOM 4 O MET A 1 1.737 -1.409 -2.774 1.00 32.32 O ATOM 5 CB MET A 1 -0.107 -0.103 -4.295 1.00 42.32 C ATOM 6 CG MET A 1 -1.277 -0.890 -3.727 1.00 5.30 C ATOM 7 SD MET A 1 -2.533 0.171 -2.987 1.00 31.42 S ATOM 8 CE MET A 1 -3.841 0.047 -4.205 1.00 24.03 C ATOM 0 H1 MET A 1 -0.554 -1.441 -6.333 1.00 43.13 H new ATOM 0 H2 MET A 1 0.947 -2.156 -6.678 1.00 43.13 H new ATOM 0 H3 MET A 1 -0.006 -2.755 -5.408 1.00 43.13 H new ATOM 0 HA MET A 1 1.606 -0.338 -5.571 1.00 62.24 H new ATOM 0 HB2 MET A 1 0.376 0.447 -3.488 1.00 42.32 H new ATOM 0 HB3 MET A 1 -0.485 0.635 -5.002 1.00 42.32 H new ATOM 0 HG2 MET A 1 -1.730 -1.484 -4.521 1.00 5.30 H new ATOM 0 HG3 MET A 1 -0.909 -1.589 -2.976 1.00 5.30 H new ATOM 0 HE1 MET A 1 -4.691 0.651 -3.889 1.00 24.03 H new ATOM 0 HE2 MET A 1 -3.478 0.408 -5.167 1.00 24.03 H new ATOM 0 HE3 MET A 1 -4.151 -0.994 -4.301 1.00 24.03 H new ATOM 18 N THR A 2 2.486 -2.751 -4.418 1.00 53.42 N ATOM 19 CA THR A 2 3.315 -3.557 -3.532 1.00 2.12 C ATOM 20 C THR A 2 4.679 -3.833 -4.155 1.00 33.10 C ATOM 21 O THR A 2 4.797 -3.990 -5.369 1.00 53.45 O ATOM 22 CB THR A 2 2.637 -4.898 -3.193 1.00 50.21 C ATOM 23 OG1 THR A 2 3.552 -5.745 -2.489 1.00 75.31 O ATOM 24 CG2 THR A 2 2.160 -5.597 -4.457 1.00 32.21 C ATOM 0 H THR A 2 2.517 -3.034 -5.397 1.00 53.42 H new ATOM 0 HA THR A 2 3.447 -2.983 -2.615 1.00 2.12 H new ATOM 0 HB THR A 2 1.772 -4.694 -2.561 1.00 50.21 H new ATOM 0 HG1 THR A 2 3.113 -6.595 -2.276 1.00 75.31 H new ATOM 0 HG21 THR A 2 1.685 -6.542 -4.193 1.00 32.21 H new ATOM 0 HG22 THR A 2 1.442 -4.962 -4.975 1.00 32.21 H new ATOM 0 HG23 THR A 2 3.011 -5.789 -5.110 1.00 32.21 H new ATOM 32 N GLY A 3 5.707 -3.893 -3.315 1.00 4.34 N ATOM 33 CA GLY A 3 7.050 -4.151 -3.802 1.00 54.03 C ATOM 34 C GLY A 3 8.095 -4.036 -2.711 1.00 2.51 C ATOM 35 O GLY A 3 9.215 -3.587 -2.959 1.00 3.12 O ATOM 0 H GLY A 3 5.634 -3.768 -2.305 1.00 4.34 H new ATOM 0 HA2 GLY A 3 7.090 -5.150 -4.235 1.00 54.03 H new ATOM 0 HA3 GLY A 3 7.285 -3.448 -4.601 1.00 54.03 H new ATOM 39 N LEU A 4 7.730 -4.439 -1.499 1.00 62.32 N ATOM 40 CA LEU A 4 8.645 -4.378 -0.364 1.00 51.34 C ATOM 41 C LEU A 4 9.665 -5.510 -0.425 1.00 34.42 C ATOM 42 O LEU A 4 10.868 -5.271 -0.513 1.00 64.05 O ATOM 43 CB LEU A 4 7.864 -4.448 0.949 1.00 24.33 C ATOM 44 CG LEU A 4 6.856 -3.325 1.192 1.00 74.11 C ATOM 45 CD1 LEU A 4 5.520 -3.658 0.546 1.00 70.55 C ATOM 46 CD2 LEU A 4 6.681 -3.078 2.683 1.00 5.52 C ATOM 0 H LEU A 4 6.807 -4.812 -1.277 1.00 62.32 H new ATOM 0 HA LEU A 4 9.181 -3.430 -0.411 1.00 51.34 H new ATOM 0 HB2 LEU A 4 7.333 -5.399 0.982 1.00 24.33 H new ATOM 0 HB3 LEU A 4 8.578 -4.453 1.773 1.00 24.33 H new ATOM 0 HG LEU A 4 7.241 -2.413 0.735 1.00 74.11 H new ATOM 0 HD11 LEU A 4 4.815 -2.847 0.729 1.00 70.55 H new ATOM 0 HD12 LEU A 4 5.657 -3.784 -0.528 1.00 70.55 H new ATOM 0 HD13 LEU A 4 5.130 -4.582 0.973 1.00 70.55 H new ATOM 0 HD21 LEU A 4 5.960 -2.275 2.837 1.00 5.52 H new ATOM 0 HD22 LEU A 4 6.319 -3.988 3.162 1.00 5.52 H new ATOM 0 HD23 LEU A 4 7.639 -2.794 3.120 1.00 5.52 H new ATOM 58 N ALA A 5 9.174 -6.745 -0.378 1.00 51.41 N ATOM 59 CA ALA A 5 10.042 -7.914 -0.432 1.00 32.41 C ATOM 60 C ALA A 5 9.821 -8.703 -1.718 1.00 62.12 C ATOM 61 O ALA A 5 10.709 -9.423 -2.175 1.00 54.31 O ATOM 62 CB ALA A 5 9.806 -8.802 0.781 1.00 64.40 C ATOM 0 H ALA A 5 8.180 -6.961 -0.303 1.00 51.41 H new ATOM 0 HA ALA A 5 11.076 -7.569 -0.421 1.00 32.41 H new ATOM 0 HB1 ALA A 5 10.461 -9.672 0.728 1.00 64.40 H new ATOM 0 HB2 ALA A 5 10.021 -8.241 1.690 1.00 64.40 H new ATOM 0 HB3 ALA A 5 8.767 -9.131 0.795 1.00 64.40 H new ATOM 68 N GLU A 6 8.632 -8.563 -2.296 1.00 44.25 N ATOM 69 CA GLU A 6 8.296 -9.264 -3.530 1.00 21.42 C ATOM 70 C GLU A 6 9.289 -8.924 -4.637 1.00 63.53 C ATOM 71 O GLU A 6 9.744 -9.803 -5.369 1.00 74.22 O ATOM 72 CB GLU A 6 6.877 -8.907 -3.975 1.00 54.12 C ATOM 73 CG GLU A 6 5.809 -9.820 -3.397 1.00 31.41 C ATOM 74 CD GLU A 6 4.501 -9.746 -4.161 1.00 22.01 C ATOM 75 OE1 GLU A 6 3.466 -9.434 -3.535 1.00 43.33 O ATOM 76 OE2 GLU A 6 4.512 -10.000 -5.383 1.00 63.14 O ATOM 0 H GLU A 6 7.886 -7.971 -1.930 1.00 44.25 H new ATOM 0 HA GLU A 6 8.349 -10.335 -3.335 1.00 21.42 H new ATOM 0 HB2 GLU A 6 6.661 -7.879 -3.682 1.00 54.12 H new ATOM 0 HB3 GLU A 6 6.826 -8.946 -5.063 1.00 54.12 H new ATOM 0 HG2 GLU A 6 6.172 -10.848 -3.405 1.00 31.41 H new ATOM 0 HG3 GLU A 6 5.632 -9.552 -2.355 1.00 31.41 H new ATOM 83 N ALA A 7 9.621 -7.643 -4.754 1.00 12.23 N ATOM 84 CA ALA A 7 10.561 -7.186 -5.770 1.00 74.10 C ATOM 85 C ALA A 7 11.892 -7.921 -5.656 1.00 41.43 C ATOM 86 O ALA A 7 12.422 -8.421 -6.649 1.00 31.44 O ATOM 87 CB ALA A 7 10.773 -5.684 -5.656 1.00 12.24 C ATOM 0 H ALA A 7 9.253 -6.902 -4.157 1.00 12.23 H new ATOM 0 HA ALA A 7 10.136 -7.408 -6.749 1.00 74.10 H new ATOM 0 HB1 ALA A 7 11.477 -5.357 -6.421 1.00 12.24 H new ATOM 0 HB2 ALA A 7 9.822 -5.171 -5.795 1.00 12.24 H new ATOM 0 HB3 ALA A 7 11.172 -5.447 -4.670 1.00 12.24 H new ATOM 93 N ILE A 8 12.428 -7.980 -4.442 1.00 34.23 N ATOM 94 CA ILE A 8 13.697 -8.654 -4.200 1.00 23.05 C ATOM 95 C ILE A 8 13.593 -10.146 -4.497 1.00 44.03 C ATOM 96 O ILE A 8 14.529 -10.752 -5.020 1.00 13.44 O ATOM 97 CB ILE A 8 14.167 -8.464 -2.745 1.00 41.22 C ATOM 98 CG1 ILE A 8 14.459 -6.987 -2.469 1.00 73.35 C ATOM 99 CG2 ILE A 8 15.400 -9.313 -2.471 1.00 55.24 C ATOM 100 CD1 ILE A 8 13.258 -6.219 -1.962 1.00 44.25 C ATOM 0 H ILE A 8 12.003 -7.569 -3.611 1.00 34.23 H new ATOM 0 HA ILE A 8 14.427 -8.202 -4.872 1.00 23.05 H new ATOM 0 HB ILE A 8 13.370 -8.789 -2.076 1.00 41.22 H new ATOM 0 HG12 ILE A 8 15.263 -6.914 -1.736 1.00 73.35 H new ATOM 0 HG13 ILE A 8 14.820 -6.519 -3.385 1.00 73.35 H new ATOM 0 HG21 ILE A 8 15.720 -9.168 -1.439 1.00 55.24 H new ATOM 0 HG22 ILE A 8 15.161 -10.364 -2.632 1.00 55.24 H new ATOM 0 HG23 ILE A 8 16.203 -9.016 -3.145 1.00 55.24 H new ATOM 0 HD11 ILE A 8 13.538 -5.180 -1.788 1.00 44.25 H new ATOM 0 HD12 ILE A 8 12.460 -6.261 -2.703 1.00 44.25 H new ATOM 0 HD13 ILE A 8 12.910 -6.662 -1.029 1.00 44.25 H new ATOM 112 N ALA A 9 12.449 -10.732 -4.163 1.00 35.21 N ATOM 113 CA ALA A 9 12.220 -12.153 -4.398 1.00 4.51 C ATOM 114 C ALA A 9 11.840 -12.414 -5.851 1.00 74.31 C ATOM 115 O ALA A 9 11.618 -13.557 -6.248 1.00 62.32 O ATOM 116 CB ALA A 9 11.138 -12.675 -3.464 1.00 44.14 C ATOM 0 H ALA A 9 11.665 -10.245 -3.728 1.00 35.21 H new ATOM 0 HA ALA A 9 13.149 -12.685 -4.192 1.00 4.51 H new ATOM 0 HB1 ALA A 9 10.978 -13.737 -3.651 1.00 44.14 H new ATOM 0 HB2 ALA A 9 11.450 -12.531 -2.430 1.00 44.14 H new ATOM 0 HB3 ALA A 9 10.210 -12.131 -3.642 1.00 44.14 H new ATOM 122 N ASN A 10 11.765 -11.347 -6.640 1.00 35.12 N ATOM 123 CA ASN A 10 11.409 -11.462 -8.049 1.00 52.05 C ATOM 124 C ASN A 10 12.632 -11.807 -8.893 1.00 5.01 C ATOM 125 O ASN A 10 12.510 -12.205 -10.052 1.00 1.11 O ATOM 126 CB ASN A 10 10.784 -10.157 -8.547 1.00 72.12 C ATOM 127 CG ASN A 10 9.783 -10.384 -9.664 1.00 23.41 C ATOM 128 OD1 ASN A 10 8.573 -10.306 -9.453 1.00 72.42 O ATOM 129 ND2 ASN A 10 10.286 -10.668 -10.860 1.00 10.31 N ATOM 0 H ASN A 10 11.946 -10.393 -6.327 1.00 35.12 H new ATOM 0 HA ASN A 10 10.681 -12.267 -8.149 1.00 52.05 H new ATOM 0 HB2 ASN A 10 10.289 -9.654 -7.716 1.00 72.12 H new ATOM 0 HB3 ASN A 10 11.572 -9.491 -8.899 1.00 72.12 H new ATOM 0 HD21 ASN A 10 9.662 -10.832 -11.650 1.00 10.31 H new ATOM 0 HD22 ASN A 10 11.296 -10.722 -10.989 1.00 10.31 H new ATOM 136 N THR A 11 13.814 -11.652 -8.303 1.00 31.40 N ATOM 137 CA THR A 11 15.060 -11.947 -8.999 1.00 40.40 C ATOM 138 C THR A 11 15.776 -13.134 -8.366 1.00 4.11 C ATOM 139 O THR A 11 16.551 -13.827 -9.025 1.00 25.44 O ATOM 140 CB THR A 11 16.005 -10.730 -8.997 1.00 24.42 C ATOM 141 OG1 THR A 11 17.176 -11.019 -9.769 1.00 43.30 O ATOM 142 CG2 THR A 11 16.407 -10.360 -7.577 1.00 52.30 C ATOM 0 H THR A 11 13.934 -11.324 -7.345 1.00 31.40 H new ATOM 0 HA THR A 11 14.797 -12.192 -10.028 1.00 40.40 H new ATOM 0 HB THR A 11 15.477 -9.886 -9.440 1.00 24.42 H new ATOM 0 HG1 THR A 11 17.771 -10.240 -9.764 1.00 43.30 H new ATOM 0 HG21 THR A 11 17.074 -9.498 -7.601 1.00 52.30 H new ATOM 0 HG22 THR A 11 15.516 -10.114 -6.999 1.00 52.30 H new ATOM 0 HG23 THR A 11 16.919 -11.203 -7.113 1.00 52.30 H new ATOM 150 N VAL A 12 15.512 -13.364 -7.084 1.00 11.44 N ATOM 151 CA VAL A 12 16.130 -14.469 -6.362 1.00 23.14 C ATOM 152 C VAL A 12 15.838 -15.802 -7.042 1.00 41.30 C ATOM 153 O VAL A 12 16.575 -16.772 -6.870 1.00 3.12 O ATOM 154 CB VAL A 12 15.639 -14.531 -4.903 1.00 63.40 C ATOM 155 CG1 VAL A 12 15.885 -13.205 -4.200 1.00 33.22 C ATOM 156 CG2 VAL A 12 14.166 -14.906 -4.853 1.00 32.31 C ATOM 0 H VAL A 12 14.874 -12.799 -6.524 1.00 11.44 H new ATOM 0 HA VAL A 12 17.205 -14.289 -6.368 1.00 23.14 H new ATOM 0 HB VAL A 12 16.204 -15.302 -4.380 1.00 63.40 H new ATOM 0 HG11 VAL A 12 15.532 -13.268 -3.171 1.00 33.22 H new ATOM 0 HG12 VAL A 12 16.952 -12.983 -4.205 1.00 33.22 H new ATOM 0 HG13 VAL A 12 15.348 -12.412 -4.720 1.00 33.22 H new ATOM 0 HG21 VAL A 12 13.836 -14.945 -3.815 1.00 32.31 H new ATOM 0 HG22 VAL A 12 13.582 -14.160 -5.392 1.00 32.31 H new ATOM 0 HG23 VAL A 12 14.023 -15.882 -5.316 1.00 32.31 H new ATOM 166 N GLN A 13 14.758 -15.841 -7.816 1.00 11.35 N ATOM 167 CA GLN A 13 14.368 -17.055 -8.522 1.00 63.21 C ATOM 168 C GLN A 13 15.536 -17.615 -9.328 1.00 3.25 C ATOM 169 O GLN A 13 15.755 -18.825 -9.362 1.00 63.24 O ATOM 170 CB GLN A 13 13.183 -16.774 -9.448 1.00 23.13 C ATOM 171 CG GLN A 13 11.880 -16.521 -8.707 1.00 72.55 C ATOM 172 CD GLN A 13 10.726 -17.331 -9.265 1.00 32.32 C ATOM 173 OE1 GLN A 13 10.390 -18.395 -8.743 1.00 71.05 O ATOM 174 NE2 GLN A 13 10.111 -16.831 -10.330 1.00 42.03 N ATOM 0 H GLN A 13 14.138 -15.046 -7.970 1.00 11.35 H new ATOM 0 HA GLN A 13 14.073 -17.797 -7.780 1.00 63.21 H new ATOM 0 HB2 GLN A 13 13.414 -15.907 -10.067 1.00 23.13 H new ATOM 0 HB3 GLN A 13 13.050 -17.621 -10.122 1.00 23.13 H new ATOM 0 HG2 GLN A 13 12.013 -16.763 -7.653 1.00 72.55 H new ATOM 0 HG3 GLN A 13 11.635 -15.460 -8.762 1.00 72.55 H new ATOM 0 HE21 GLN A 13 10.423 -15.946 -10.730 1.00 42.03 H new ATOM 0 HE22 GLN A 13 9.327 -17.332 -10.748 1.00 42.03 H new ATOM 183 N ALA A 14 16.283 -16.725 -9.974 1.00 31.50 N ATOM 184 CA ALA A 14 17.429 -17.131 -10.778 1.00 4.43 C ATOM 185 C ALA A 14 18.735 -16.650 -10.153 1.00 51.13 C ATOM 186 O ALA A 14 19.761 -17.324 -10.240 1.00 35.41 O ATOM 187 CB ALA A 14 17.293 -16.599 -12.197 1.00 5.32 C ATOM 0 H ALA A 14 16.115 -15.719 -9.956 1.00 31.50 H new ATOM 0 HA ALA A 14 17.452 -18.220 -10.811 1.00 4.43 H new ATOM 0 HB1 ALA A 14 18.156 -16.910 -12.786 1.00 5.32 H new ATOM 0 HB2 ALA A 14 16.383 -16.995 -12.648 1.00 5.32 H new ATOM 0 HB3 ALA A 14 17.242 -15.510 -12.174 1.00 5.32 H new ATOM 193 N ALA A 15 18.689 -15.480 -9.525 1.00 3.21 N ATOM 194 CA ALA A 15 19.868 -14.910 -8.885 1.00 44.10 C ATOM 195 C ALA A 15 20.223 -15.669 -7.611 1.00 33.20 C ATOM 196 O ALA A 15 21.391 -15.957 -7.354 1.00 45.43 O ATOM 197 CB ALA A 15 19.642 -13.437 -8.578 1.00 44.22 C ATOM 0 H ALA A 15 17.848 -14.908 -9.446 1.00 3.21 H new ATOM 0 HA ALA A 15 20.706 -15.002 -9.576 1.00 44.10 H new ATOM 0 HB1 ALA A 15 20.531 -13.024 -8.100 1.00 44.22 H new ATOM 0 HB2 ALA A 15 19.445 -12.898 -9.505 1.00 44.22 H new ATOM 0 HB3 ALA A 15 18.788 -13.332 -7.909 1.00 44.22 H new ATOM 203 N GLN A 16 19.206 -15.990 -6.817 1.00 24.21 N ATOM 204 CA GLN A 16 19.412 -16.715 -5.569 1.00 22.14 C ATOM 205 C GLN A 16 20.260 -15.899 -4.598 1.00 53.34 C ATOM 206 O GLN A 16 21.056 -16.451 -3.840 1.00 33.13 O ATOM 207 CB GLN A 16 20.083 -18.062 -5.841 1.00 64.44 C ATOM 208 CG GLN A 16 19.399 -18.874 -6.929 1.00 75.11 C ATOM 209 CD GLN A 16 20.093 -20.195 -7.197 1.00 4.42 C ATOM 210 OE1 GLN A 16 20.107 -21.086 -6.347 1.00 52.30 O ATOM 211 NE2 GLN A 16 20.675 -20.328 -8.383 1.00 5.22 N ATOM 0 H GLN A 16 18.232 -15.760 -7.016 1.00 24.21 H new ATOM 0 HA GLN A 16 18.436 -16.888 -5.115 1.00 22.14 H new ATOM 0 HB2 GLN A 16 21.121 -17.890 -6.126 1.00 64.44 H new ATOM 0 HB3 GLN A 16 20.097 -18.644 -4.920 1.00 64.44 H new ATOM 0 HG2 GLN A 16 18.365 -19.063 -6.640 1.00 75.11 H new ATOM 0 HG3 GLN A 16 19.371 -18.290 -7.849 1.00 75.11 H new ATOM 0 HE21 GLN A 16 20.639 -19.564 -9.057 1.00 5.22 H new ATOM 0 HE22 GLN A 16 21.158 -21.195 -8.620 1.00 5.22 H new ATOM 220 N GLN A 17 20.083 -14.582 -4.630 1.00 13.25 N ATOM 221 CA GLN A 17 20.833 -13.690 -3.753 1.00 54.11 C ATOM 222 C GLN A 17 22.324 -13.747 -4.065 1.00 63.33 C ATOM 223 O GLN A 17 23.159 -13.758 -3.160 1.00 33.13 O ATOM 224 CB GLN A 17 20.592 -14.059 -2.288 1.00 55.52 C ATOM 225 CG GLN A 17 19.140 -14.382 -1.973 1.00 51.31 C ATOM 226 CD GLN A 17 18.919 -14.707 -0.509 1.00 51.10 C ATOM 227 OE1 GLN A 17 19.690 -14.289 0.355 1.00 44.11 O ATOM 228 NE2 GLN A 17 17.861 -15.456 -0.222 1.00 21.41 N ATOM 0 H GLN A 17 19.428 -14.109 -5.253 1.00 13.25 H new ATOM 0 HA GLN A 17 20.483 -12.672 -3.926 1.00 54.11 H new ATOM 0 HB2 GLN A 17 21.211 -14.919 -2.032 1.00 55.52 H new ATOM 0 HB3 GLN A 17 20.917 -13.233 -1.656 1.00 55.52 H new ATOM 0 HG2 GLN A 17 18.514 -13.534 -2.251 1.00 51.31 H new ATOM 0 HG3 GLN A 17 18.820 -15.228 -2.581 1.00 51.31 H new ATOM 0 HE21 GLN A 17 17.248 -15.781 -0.970 1.00 21.41 H new ATOM 0 HE22 GLN A 17 17.661 -15.706 0.746 1.00 21.41 H new ATOM 237 N HIS A 18 22.653 -13.784 -5.353 1.00 25.53 N ATOM 238 CA HIS A 18 24.046 -13.841 -5.784 1.00 54.35 C ATOM 239 C HIS A 18 24.406 -12.615 -6.618 1.00 54.25 C ATOM 240 O HIS A 18 25.309 -11.856 -6.266 1.00 54.22 O ATOM 241 CB HIS A 18 24.300 -15.114 -6.592 1.00 1.12 C ATOM 242 CG HIS A 18 25.645 -15.147 -7.250 1.00 23.14 C ATOM 243 ND1 HIS A 18 25.847 -14.795 -8.567 1.00 64.25 N ATOM 244 CD2 HIS A 18 26.860 -15.492 -6.763 1.00 45.41 C ATOM 245 CE1 HIS A 18 27.128 -14.924 -8.864 1.00 5.44 C ATOM 246 NE2 HIS A 18 27.765 -15.344 -7.786 1.00 22.44 N ATOM 0 H HIS A 18 21.975 -13.776 -6.115 1.00 25.53 H new ATOM 0 HA HIS A 18 24.676 -13.852 -4.895 1.00 54.35 H new ATOM 0 HB2 HIS A 18 24.205 -15.977 -5.933 1.00 1.12 H new ATOM 0 HB3 HIS A 18 23.528 -15.210 -7.356 1.00 1.12 H new ATOM 0 HD2 HIS A 18 27.077 -15.822 -5.758 1.00 45.41 H new ATOM 0 HE1 HIS A 18 27.578 -14.721 -9.825 1.00 5.44 H new ATOM 0 HE2 HIS A 18 28.766 -15.529 -7.723 1.00 22.44 H new ATOM 254 N ASP A 19 23.694 -12.429 -7.725 1.00 5.40 N ATOM 255 CA ASP A 19 23.939 -11.295 -8.609 1.00 52.11 C ATOM 256 C ASP A 19 23.768 -9.976 -7.862 1.00 35.13 C ATOM 257 O ASP A 19 24.460 -8.998 -8.142 1.00 24.03 O ATOM 258 CB ASP A 19 22.991 -11.343 -9.808 1.00 52.44 C ATOM 259 CG ASP A 19 23.574 -10.667 -11.034 1.00 74.33 C ATOM 260 OD1 ASP A 19 22.933 -9.731 -11.557 1.00 43.11 O ATOM 261 OD2 ASP A 19 24.670 -11.075 -11.470 1.00 44.54 O ATOM 0 H ASP A 19 22.943 -13.048 -8.031 1.00 5.40 H new ATOM 0 HA ASP A 19 24.967 -11.359 -8.965 1.00 52.11 H new ATOM 0 HB2 ASP A 19 22.761 -12.382 -10.044 1.00 52.44 H new ATOM 0 HB3 ASP A 19 22.050 -10.860 -9.543 1.00 52.44 H new ATOM 266 N SER A 20 22.839 -9.957 -6.911 1.00 22.04 N ATOM 267 CA SER A 20 22.573 -8.757 -6.126 1.00 42.11 C ATOM 268 C SER A 20 23.693 -8.506 -5.120 1.00 74.41 C ATOM 269 O SER A 20 23.732 -7.465 -4.465 1.00 24.14 O ATOM 270 CB SER A 20 21.235 -8.886 -5.396 1.00 1.33 C ATOM 271 OG SER A 20 20.934 -10.242 -5.118 1.00 22.31 O ATOM 0 H SER A 20 22.258 -10.759 -6.666 1.00 22.04 H new ATOM 0 HA SER A 20 22.526 -7.909 -6.809 1.00 42.11 H new ATOM 0 HB2 SER A 20 21.269 -8.320 -4.465 1.00 1.33 H new ATOM 0 HB3 SER A 20 20.442 -8.452 -6.005 1.00 1.33 H new ATOM 0 HG SER A 20 21.736 -10.693 -4.781 1.00 22.31 H new ATOM 277 N VAL A 21 24.601 -9.469 -5.003 1.00 64.54 N ATOM 278 CA VAL A 21 25.723 -9.355 -4.079 1.00 13.53 C ATOM 279 C VAL A 21 26.832 -8.488 -4.665 1.00 15.44 C ATOM 280 O VAL A 21 27.768 -8.102 -3.965 1.00 45.44 O ATOM 281 CB VAL A 21 26.301 -10.737 -3.723 1.00 31.10 C ATOM 282 CG1 VAL A 21 27.328 -10.616 -2.608 1.00 1.33 C ATOM 283 CG2 VAL A 21 25.186 -11.695 -3.330 1.00 64.25 C ATOM 0 H VAL A 21 24.582 -10.338 -5.537 1.00 64.54 H new ATOM 0 HA VAL A 21 25.339 -8.886 -3.173 1.00 13.53 H new ATOM 0 HB VAL A 21 26.802 -11.139 -4.603 1.00 31.10 H new ATOM 0 HG11 VAL A 21 27.725 -11.603 -2.370 1.00 1.33 H new ATOM 0 HG12 VAL A 21 28.141 -9.966 -2.931 1.00 1.33 H new ATOM 0 HG13 VAL A 21 26.855 -10.192 -1.722 1.00 1.33 H new ATOM 0 HG21 VAL A 21 25.612 -12.667 -3.082 1.00 64.25 H new ATOM 0 HG22 VAL A 21 24.655 -11.300 -2.464 1.00 64.25 H new ATOM 0 HG23 VAL A 21 24.491 -11.806 -4.162 1.00 64.25 H new ATOM 293 N LYS A 22 26.719 -8.184 -5.953 1.00 50.13 N ATOM 294 CA LYS A 22 27.710 -7.361 -6.635 1.00 44.42 C ATOM 295 C LYS A 22 27.078 -6.081 -7.174 1.00 32.42 C ATOM 296 O LYS A 22 27.738 -5.047 -7.280 1.00 2.02 O ATOM 297 CB LYS A 22 28.354 -8.145 -7.781 1.00 23.14 C ATOM 298 CG LYS A 22 29.870 -8.055 -7.803 1.00 4.30 C ATOM 299 CD LYS A 22 30.346 -6.875 -8.634 1.00 64.10 C ATOM 300 CE LYS A 22 31.767 -7.084 -9.135 1.00 41.35 C ATOM 301 NZ LYS A 22 31.815 -8.020 -10.293 1.00 0.32 N ATOM 0 H LYS A 22 25.950 -8.496 -6.546 1.00 50.13 H new ATOM 0 HA LYS A 22 28.478 -7.089 -5.911 1.00 44.42 H new ATOM 0 HB2 LYS A 22 28.062 -9.192 -7.703 1.00 23.14 H new ATOM 0 HB3 LYS A 22 27.963 -7.775 -8.728 1.00 23.14 H new ATOM 0 HG2 LYS A 22 30.245 -7.958 -6.784 1.00 4.30 H new ATOM 0 HG3 LYS A 22 30.284 -8.978 -8.209 1.00 4.30 H new ATOM 0 HD2 LYS A 22 29.677 -6.733 -9.483 1.00 64.10 H new ATOM 0 HD3 LYS A 22 30.300 -5.965 -8.036 1.00 64.10 H new ATOM 0 HE2 LYS A 22 32.194 -6.124 -9.426 1.00 41.35 H new ATOM 0 HE3 LYS A 22 32.383 -7.475 -8.326 1.00 41.35 H new ATOM 0 HZ1 LYS A 22 32.729 -8.515 -10.301 1.00 0.32 H new ATOM 0 HZ2 LYS A 22 31.046 -8.715 -10.210 1.00 0.32 H new ATOM 0 HZ3 LYS A 22 31.704 -7.484 -11.177 1.00 0.32 H new ATOM 315 N LEU A 23 25.795 -6.158 -7.511 1.00 43.14 N ATOM 316 CA LEU A 23 25.073 -5.005 -8.038 1.00 34.13 C ATOM 317 C LEU A 23 23.732 -4.834 -7.331 1.00 74.23 C ATOM 318 O LEU A 23 22.738 -4.454 -7.948 1.00 55.41 O ATOM 319 CB LEU A 23 24.853 -5.160 -9.543 1.00 74.35 C ATOM 320 CG LEU A 23 24.504 -6.567 -10.029 1.00 75.53 C ATOM 321 CD1 LEU A 23 23.664 -6.502 -11.295 1.00 75.04 C ATOM 322 CD2 LEU A 23 25.769 -7.378 -10.268 1.00 31.51 C ATOM 0 H LEU A 23 25.234 -7.006 -7.429 1.00 43.14 H new ATOM 0 HA LEU A 23 25.676 -4.115 -7.856 1.00 34.13 H new ATOM 0 HB2 LEU A 23 24.053 -4.484 -9.844 1.00 74.35 H new ATOM 0 HB3 LEU A 23 25.757 -4.833 -10.058 1.00 74.35 H new ATOM 0 HG LEU A 23 23.919 -7.063 -9.254 1.00 75.53 H new ATOM 0 HD11 LEU A 23 23.426 -7.513 -11.626 1.00 75.04 H new ATOM 0 HD12 LEU A 23 22.741 -5.959 -11.092 1.00 75.04 H new ATOM 0 HD13 LEU A 23 24.223 -5.987 -12.076 1.00 75.04 H new ATOM 0 HD21 LEU A 23 25.501 -8.377 -10.613 1.00 31.51 H new ATOM 0 HD22 LEU A 23 26.380 -6.884 -11.024 1.00 31.51 H new ATOM 0 HD23 LEU A 23 26.333 -7.455 -9.338 1.00 31.51 H new ATOM 334 N GLY A 24 23.712 -5.117 -6.032 1.00 44.41 N ATOM 335 CA GLY A 24 22.489 -4.986 -5.263 1.00 30.15 C ATOM 336 C GLY A 24 22.749 -4.895 -3.772 1.00 14.01 C ATOM 337 O GLY A 24 22.378 -5.791 -3.013 1.00 31.21 O ATOM 0 H GLY A 24 24.521 -5.435 -5.499 1.00 44.41 H new ATOM 0 HA2 GLY A 24 21.951 -4.096 -5.590 1.00 30.15 H new ATOM 0 HA3 GLY A 24 21.843 -5.841 -5.465 1.00 30.15 H new ATOM 341 N THR A 25 23.389 -3.809 -3.349 1.00 64.45 N ATOM 342 CA THR A 25 23.701 -3.606 -1.940 1.00 42.45 C ATOM 343 C THR A 25 22.432 -3.415 -1.118 1.00 74.15 C ATOM 344 O THR A 25 22.338 -3.887 0.015 1.00 51.52 O ATOM 345 CB THR A 25 24.618 -2.384 -1.739 1.00 31.32 C ATOM 346 OG1 THR A 25 24.883 -2.196 -0.344 1.00 51.44 O ATOM 347 CG2 THR A 25 23.980 -1.128 -2.314 1.00 23.45 C ATOM 0 H THR A 25 23.701 -3.056 -3.963 1.00 64.45 H new ATOM 0 HA THR A 25 24.220 -4.502 -1.599 1.00 42.45 H new ATOM 0 HB THR A 25 25.555 -2.569 -2.265 1.00 31.32 H new ATOM 0 HG1 THR A 25 25.468 -1.419 -0.224 1.00 51.44 H new ATOM 0 HG21 THR A 25 24.646 -0.279 -2.160 1.00 23.45 H new ATOM 0 HG22 THR A 25 23.806 -1.264 -3.381 1.00 23.45 H new ATOM 0 HG23 THR A 25 23.030 -0.940 -1.813 1.00 23.45 H new ATOM 355 N SER A 26 21.456 -2.722 -1.697 1.00 1.32 N ATOM 356 CA SER A 26 20.192 -2.466 -1.016 1.00 23.33 C ATOM 357 C SER A 26 19.234 -3.641 -1.190 1.00 3.11 C ATOM 358 O SER A 26 18.093 -3.598 -0.729 1.00 60.35 O ATOM 359 CB SER A 26 19.550 -1.186 -1.552 1.00 14.54 C ATOM 360 OG SER A 26 18.658 -0.626 -0.602 1.00 63.44 O ATOM 0 H SER A 26 21.517 -2.328 -2.636 1.00 1.32 H new ATOM 0 HA SER A 26 20.399 -2.342 0.047 1.00 23.33 H new ATOM 0 HB2 SER A 26 20.326 -0.461 -1.798 1.00 14.54 H new ATOM 0 HB3 SER A 26 19.013 -1.404 -2.475 1.00 14.54 H new ATOM 0 HG SER A 26 18.089 -1.333 -0.231 1.00 63.44 H new ATOM 366 N ILE A 27 19.707 -4.688 -1.857 1.00 42.25 N ATOM 367 CA ILE A 27 18.894 -5.875 -2.092 1.00 11.51 C ATOM 368 C ILE A 27 19.314 -7.018 -1.175 1.00 34.41 C ATOM 369 O ILE A 27 18.484 -7.614 -0.488 1.00 74.42 O ATOM 370 CB ILE A 27 18.991 -6.343 -3.556 1.00 34.12 C ATOM 371 CG1 ILE A 27 19.182 -5.144 -4.486 1.00 51.24 C ATOM 372 CG2 ILE A 27 17.747 -7.128 -3.944 1.00 33.42 C ATOM 373 CD1 ILE A 27 18.086 -4.107 -4.369 1.00 64.34 C ATOM 0 H ILE A 27 20.649 -4.739 -2.244 1.00 42.25 H new ATOM 0 HA ILE A 27 17.862 -5.599 -1.876 1.00 11.51 H new ATOM 0 HB ILE A 27 19.857 -6.998 -3.656 1.00 34.12 H new ATOM 0 HG12 ILE A 27 20.141 -4.674 -4.267 1.00 51.24 H new ATOM 0 HG13 ILE A 27 19.228 -5.497 -5.516 1.00 51.24 H new ATOM 0 HG21 ILE A 27 17.830 -7.452 -4.981 1.00 33.42 H new ATOM 0 HG22 ILE A 27 17.651 -8.001 -3.298 1.00 33.42 H new ATOM 0 HG23 ILE A 27 16.867 -6.495 -3.831 1.00 33.42 H new ATOM 0 HD11 ILE A 27 18.287 -3.286 -5.057 1.00 64.34 H new ATOM 0 HD12 ILE A 27 17.127 -4.562 -4.617 1.00 64.34 H new ATOM 0 HD13 ILE A 27 18.054 -3.725 -3.348 1.00 64.34 H new ATOM 385 N VAL A 28 20.608 -7.319 -1.167 1.00 64.15 N ATOM 386 CA VAL A 28 21.140 -8.390 -0.332 1.00 52.25 C ATOM 387 C VAL A 28 20.783 -8.172 1.134 1.00 73.05 C ATOM 388 O VAL A 28 20.739 -9.119 1.920 1.00 42.53 O ATOM 389 CB VAL A 28 22.670 -8.499 -0.466 1.00 43.50 C ATOM 390 CG1 VAL A 28 23.067 -8.691 -1.922 1.00 22.03 C ATOM 391 CG2 VAL A 28 23.345 -7.268 0.121 1.00 53.33 C ATOM 0 H VAL A 28 21.308 -6.836 -1.730 1.00 64.15 H new ATOM 0 HA VAL A 28 20.686 -9.318 -0.680 1.00 52.25 H new ATOM 0 HB VAL A 28 23.005 -9.372 0.095 1.00 43.50 H new ATOM 0 HG11 VAL A 28 24.152 -8.766 -1.996 1.00 22.03 H new ATOM 0 HG12 VAL A 28 22.613 -9.605 -2.305 1.00 22.03 H new ATOM 0 HG13 VAL A 28 22.721 -7.840 -2.509 1.00 22.03 H new ATOM 0 HG21 VAL A 28 24.426 -7.362 0.018 1.00 53.33 H new ATOM 0 HG22 VAL A 28 23.006 -6.379 -0.410 1.00 53.33 H new ATOM 0 HG23 VAL A 28 23.088 -7.180 1.177 1.00 53.33 H new ATOM 401 N ASP A 29 20.527 -6.919 1.495 1.00 63.43 N ATOM 402 CA ASP A 29 20.172 -6.577 2.867 1.00 50.42 C ATOM 403 C ASP A 29 18.657 -6.504 3.034 1.00 24.30 C ATOM 404 O ASP A 29 18.153 -5.806 3.914 1.00 40.42 O ATOM 405 CB ASP A 29 20.805 -5.242 3.262 1.00 45.20 C ATOM 406 CG ASP A 29 22.308 -5.231 3.058 1.00 54.24 C ATOM 407 OD1 ASP A 29 22.959 -6.244 3.389 1.00 3.52 O ATOM 408 OD2 ASP A 29 22.832 -4.210 2.565 1.00 14.04 O ATOM 0 H ASP A 29 20.559 -6.124 0.857 1.00 63.43 H new ATOM 0 HA ASP A 29 20.555 -7.360 3.521 1.00 50.42 H new ATOM 0 HB2 ASP A 29 20.356 -4.442 2.674 1.00 45.20 H new ATOM 0 HB3 ASP A 29 20.582 -5.033 4.308 1.00 45.20 H new ATOM 413 N ILE A 30 17.938 -7.229 2.184 1.00 22.30 N ATOM 414 CA ILE A 30 16.482 -7.247 2.238 1.00 13.11 C ATOM 415 C ILE A 30 15.949 -8.676 2.240 1.00 11.31 C ATOM 416 O ILE A 30 14.986 -8.990 2.940 1.00 2.12 O ATOM 417 CB ILE A 30 15.865 -6.483 1.052 1.00 50.33 C ATOM 418 CG1 ILE A 30 16.318 -5.021 1.067 1.00 24.40 C ATOM 419 CG2 ILE A 30 14.347 -6.572 1.096 1.00 71.45 C ATOM 420 CD1 ILE A 30 15.877 -4.265 2.300 1.00 10.31 C ATOM 0 H ILE A 30 18.340 -7.812 1.450 1.00 22.30 H new ATOM 0 HA ILE A 30 16.195 -6.753 3.167 1.00 13.11 H new ATOM 0 HB ILE A 30 16.210 -6.942 0.125 1.00 50.33 H new ATOM 0 HG12 ILE A 30 17.405 -4.985 0.998 1.00 24.40 H new ATOM 0 HG13 ILE A 30 15.926 -4.518 0.183 1.00 24.40 H new ATOM 0 HG21 ILE A 30 13.926 -6.027 0.251 1.00 71.45 H new ATOM 0 HG22 ILE A 30 14.042 -7.617 1.042 1.00 71.45 H new ATOM 0 HG23 ILE A 30 13.984 -6.136 2.027 1.00 71.45 H new ATOM 0 HD11 ILE A 30 16.233 -3.236 2.243 1.00 10.31 H new ATOM 0 HD12 ILE A 30 14.789 -4.269 2.360 1.00 10.31 H new ATOM 0 HD13 ILE A 30 16.291 -4.743 3.188 1.00 10.31 H new ATOM 432 N VAL A 31 16.583 -9.539 1.453 1.00 52.03 N ATOM 433 CA VAL A 31 16.175 -10.936 1.365 1.00 31.15 C ATOM 434 C VAL A 31 16.667 -11.729 2.571 1.00 2.42 C ATOM 435 O VAL A 31 16.086 -12.751 2.934 1.00 0.22 O ATOM 436 CB VAL A 31 16.706 -11.596 0.079 1.00 31.53 C ATOM 437 CG1 VAL A 31 18.222 -11.706 0.122 1.00 24.20 C ATOM 438 CG2 VAL A 31 16.070 -12.964 -0.119 1.00 15.12 C ATOM 0 H VAL A 31 17.381 -9.295 0.867 1.00 52.03 H new ATOM 0 HA VAL A 31 15.085 -10.947 1.346 1.00 31.15 H new ATOM 0 HB VAL A 31 16.435 -10.968 -0.770 1.00 31.53 H new ATOM 0 HG11 VAL A 31 18.579 -12.175 -0.795 1.00 24.20 H new ATOM 0 HG12 VAL A 31 18.657 -10.711 0.214 1.00 24.20 H new ATOM 0 HG13 VAL A 31 18.519 -12.312 0.978 1.00 24.20 H new ATOM 0 HG21 VAL A 31 16.457 -13.416 -1.032 1.00 15.12 H new ATOM 0 HG22 VAL A 31 16.309 -13.603 0.731 1.00 15.12 H new ATOM 0 HG23 VAL A 31 14.988 -12.854 -0.198 1.00 15.12 H new ATOM 448 N ALA A 32 17.742 -11.249 3.188 1.00 22.55 N ATOM 449 CA ALA A 32 18.312 -11.912 4.355 1.00 14.34 C ATOM 450 C ALA A 32 18.149 -11.055 5.607 1.00 71.24 C ATOM 451 O ALA A 32 17.886 -11.570 6.693 1.00 61.05 O ATOM 452 CB ALA A 32 19.781 -12.229 4.118 1.00 53.31 C ATOM 0 H ALA A 32 18.235 -10.404 2.900 1.00 22.55 H new ATOM 0 HA ALA A 32 17.771 -12.845 4.512 1.00 14.34 H new ATOM 0 HB1 ALA A 32 20.193 -12.724 4.998 1.00 53.31 H new ATOM 0 HB2 ALA A 32 19.877 -12.886 3.254 1.00 53.31 H new ATOM 0 HB3 ALA A 32 20.327 -11.304 3.933 1.00 53.31 H new ATOM 458 N ASN A 33 18.308 -9.745 5.446 1.00 33.43 N ATOM 459 CA ASN A 33 18.179 -8.817 6.564 1.00 25.51 C ATOM 460 C ASN A 33 16.744 -8.317 6.694 1.00 61.03 C ATOM 461 O ASN A 33 16.089 -8.535 7.712 1.00 21.10 O ATOM 462 CB ASN A 33 19.130 -7.633 6.382 1.00 41.51 C ATOM 463 CG ASN A 33 19.922 -7.328 7.639 1.00 64.33 C ATOM 464 OD1 ASN A 33 19.862 -6.220 8.171 1.00 13.00 O ATOM 465 ND2 ASN A 33 20.671 -8.314 8.119 1.00 63.21 N ATOM 0 H ASN A 33 18.526 -9.303 4.553 1.00 33.43 H new ATOM 0 HA ASN A 33 18.443 -9.349 7.478 1.00 25.51 H new ATOM 0 HB2 ASN A 33 19.819 -7.846 5.565 1.00 41.51 H new ATOM 0 HB3 ASN A 33 18.557 -6.751 6.094 1.00 41.51 H new ATOM 0 HD21 ASN A 33 21.227 -8.168 8.962 1.00 63.21 H new ATOM 0 HD22 ASN A 33 20.690 -9.217 7.645 1.00 63.21 H new ATOM 472 N GLY A 34 16.261 -7.645 5.653 1.00 1.32 N ATOM 473 CA GLY A 34 14.907 -7.124 5.670 1.00 35.14 C ATOM 474 C GLY A 34 13.875 -8.201 5.944 1.00 41.24 C ATOM 475 O GLY A 34 12.801 -7.921 6.477 1.00 24.21 O ATOM 0 H GLY A 34 16.784 -7.452 4.798 1.00 1.32 H new ATOM 0 HA2 GLY A 34 14.829 -6.348 6.432 1.00 35.14 H new ATOM 0 HA3 GLY A 34 14.690 -6.653 4.711 1.00 35.14 H new ATOM 479 N VAL A 35 14.200 -9.436 5.576 1.00 73.23 N ATOM 480 CA VAL A 35 13.293 -10.559 5.784 1.00 41.03 C ATOM 481 C VAL A 35 12.886 -10.673 7.248 1.00 11.54 C ATOM 482 O VAL A 35 11.789 -11.130 7.565 1.00 55.21 O ATOM 483 CB VAL A 35 13.932 -11.887 5.335 1.00 10.24 C ATOM 484 CG1 VAL A 35 15.101 -12.249 6.239 1.00 72.00 C ATOM 485 CG2 VAL A 35 12.894 -12.999 5.321 1.00 41.21 C ATOM 0 H VAL A 35 15.084 -9.684 5.132 1.00 73.23 H new ATOM 0 HA VAL A 35 12.408 -10.367 5.178 1.00 41.03 H new ATOM 0 HB VAL A 35 14.312 -11.763 4.321 1.00 10.24 H new ATOM 0 HG11 VAL A 35 15.540 -13.190 5.907 1.00 72.00 H new ATOM 0 HG12 VAL A 35 15.853 -11.462 6.194 1.00 72.00 H new ATOM 0 HG13 VAL A 35 14.748 -12.355 7.265 1.00 72.00 H new ATOM 0 HG21 VAL A 35 13.362 -13.930 5.002 1.00 41.21 H new ATOM 0 HG22 VAL A 35 12.482 -13.125 6.322 1.00 41.21 H new ATOM 0 HG23 VAL A 35 12.093 -12.740 4.629 1.00 41.21 H new ATOM 495 N GLY A 36 13.779 -10.252 8.140 1.00 74.13 N ATOM 496 CA GLY A 36 13.494 -10.315 9.561 1.00 13.43 C ATOM 497 C GLY A 36 12.403 -9.347 9.977 1.00 21.40 C ATOM 498 O GLY A 36 11.799 -9.500 11.040 1.00 61.44 O ATOM 0 H GLY A 36 14.694 -9.869 7.903 1.00 74.13 H new ATOM 0 HA2 GLY A 36 13.195 -11.330 9.824 1.00 13.43 H new ATOM 0 HA3 GLY A 36 14.403 -10.096 10.121 1.00 13.43 H new ATOM 502 N LEU A 37 12.151 -8.348 9.140 1.00 55.35 N ATOM 503 CA LEU A 37 11.126 -7.350 9.426 1.00 12.33 C ATOM 504 C LEU A 37 9.755 -7.827 8.957 1.00 10.54 C ATOM 505 O LEU A 37 8.729 -7.461 9.532 1.00 75.01 O ATOM 506 CB LEU A 37 11.475 -6.023 8.751 1.00 44.53 C ATOM 507 CG LEU A 37 12.408 -5.097 9.532 1.00 11.44 C ATOM 508 CD1 LEU A 37 13.855 -5.532 9.366 1.00 64.50 C ATOM 509 CD2 LEU A 37 12.228 -3.654 9.082 1.00 62.32 C ATOM 0 H LEU A 37 12.642 -8.207 8.257 1.00 55.35 H new ATOM 0 HA LEU A 37 11.089 -7.203 10.505 1.00 12.33 H new ATOM 0 HB2 LEU A 37 11.934 -6.239 7.786 1.00 44.53 H new ATOM 0 HB3 LEU A 37 10.548 -5.486 8.550 1.00 44.53 H new ATOM 0 HG LEU A 37 12.150 -5.162 10.589 1.00 11.44 H new ATOM 0 HD11 LEU A 37 14.504 -4.861 9.929 1.00 64.50 H new ATOM 0 HD12 LEU A 37 13.974 -6.549 9.739 1.00 64.50 H new ATOM 0 HD13 LEU A 37 14.126 -5.498 8.311 1.00 64.50 H new ATOM 0 HD21 LEU A 37 12.900 -3.010 9.649 1.00 62.32 H new ATOM 0 HD22 LEU A 37 12.458 -3.573 8.020 1.00 62.32 H new ATOM 0 HD23 LEU A 37 11.197 -3.345 9.255 1.00 62.32 H new ATOM 521 N LEU A 38 9.745 -8.646 7.912 1.00 63.11 N ATOM 522 CA LEU A 38 8.500 -9.176 7.367 1.00 42.24 C ATOM 523 C LEU A 38 8.162 -10.525 7.993 1.00 51.12 C ATOM 524 O LEU A 38 6.997 -10.916 8.058 1.00 63.14 O ATOM 525 CB LEU A 38 8.606 -9.318 5.847 1.00 32.12 C ATOM 526 CG LEU A 38 9.328 -10.566 5.338 1.00 23.05 C ATOM 527 CD1 LEU A 38 8.343 -11.706 5.130 1.00 50.51 C ATOM 528 CD2 LEU A 38 10.075 -10.261 4.048 1.00 31.20 C ATOM 0 H LEU A 38 10.585 -8.958 7.425 1.00 63.11 H new ATOM 0 HA LEU A 38 7.700 -8.475 7.606 1.00 42.24 H new ATOM 0 HB2 LEU A 38 7.599 -9.310 5.430 1.00 32.12 H new ATOM 0 HB3 LEU A 38 9.120 -8.440 5.455 1.00 32.12 H new ATOM 0 HG LEU A 38 10.054 -10.874 6.090 1.00 23.05 H new ATOM 0 HD11 LEU A 38 8.875 -12.585 4.768 1.00 50.51 H new ATOM 0 HD12 LEU A 38 7.854 -11.942 6.075 1.00 50.51 H new ATOM 0 HD13 LEU A 38 7.592 -11.409 4.398 1.00 50.51 H new ATOM 0 HD21 LEU A 38 10.583 -11.161 3.700 1.00 31.20 H new ATOM 0 HD22 LEU A 38 9.368 -9.927 3.289 1.00 31.20 H new ATOM 0 HD23 LEU A 38 10.810 -9.477 4.230 1.00 31.20 H new ATOM 540 N GLY A 39 9.189 -11.231 8.455 1.00 20.51 N ATOM 541 CA GLY A 39 8.980 -12.528 9.072 1.00 34.13 C ATOM 542 C GLY A 39 7.973 -12.475 10.205 1.00 61.55 C ATOM 543 O GLY A 39 7.266 -13.450 10.463 1.00 40.30 O ATOM 0 H GLY A 39 10.162 -10.928 8.413 1.00 20.51 H new ATOM 0 HA2 GLY A 39 8.636 -13.235 8.317 1.00 34.13 H new ATOM 0 HA3 GLY A 39 9.930 -12.904 9.452 1.00 34.13 H new ATOM 547 N LYS A 40 7.908 -11.335 10.884 1.00 62.42 N ATOM 548 CA LYS A 40 6.982 -11.158 11.996 1.00 74.25 C ATOM 549 C LYS A 40 5.661 -10.567 11.514 1.00 74.01 C ATOM 550 O LYS A 40 4.604 -10.833 12.088 1.00 53.11 O ATOM 551 CB LYS A 40 7.600 -10.251 13.062 1.00 73.20 C ATOM 552 CG LYS A 40 8.883 -10.802 13.660 1.00 73.22 C ATOM 553 CD LYS A 40 8.608 -11.978 14.583 1.00 40.33 C ATOM 554 CE LYS A 40 9.695 -12.125 15.637 1.00 52.25 C ATOM 555 NZ LYS A 40 9.697 -10.984 16.594 1.00 32.31 N ATOM 0 H LYS A 40 8.486 -10.519 10.683 1.00 62.42 H new ATOM 0 HA LYS A 40 6.785 -12.137 12.432 1.00 74.25 H new ATOM 0 HB2 LYS A 40 7.804 -9.275 12.622 1.00 73.20 H new ATOM 0 HB3 LYS A 40 6.874 -10.096 13.860 1.00 73.20 H new ATOM 0 HG2 LYS A 40 9.553 -11.115 12.860 1.00 73.22 H new ATOM 0 HG3 LYS A 40 9.394 -10.015 14.214 1.00 73.22 H new ATOM 0 HD2 LYS A 40 7.643 -11.841 15.071 1.00 40.33 H new ATOM 0 HD3 LYS A 40 8.542 -12.894 13.997 1.00 40.33 H new ATOM 0 HE2 LYS A 40 9.548 -13.057 16.183 1.00 52.25 H new ATOM 0 HE3 LYS A 40 10.667 -12.192 15.149 1.00 52.25 H new ATOM 0 HZ1 LYS A 40 10.162 -11.273 17.478 1.00 32.31 H new ATOM 0 HZ2 LYS A 40 10.213 -10.183 16.178 1.00 32.31 H new ATOM 0 HZ3 LYS A 40 8.718 -10.698 16.796 1.00 32.31 H new ATOM 569 N LEU A 41 5.727 -9.766 10.456 1.00 0.35 N ATOM 570 CA LEU A 41 4.535 -9.138 9.896 1.00 3.12 C ATOM 571 C LEU A 41 3.644 -10.172 9.215 1.00 4.30 C ATOM 572 O LEU A 41 2.451 -10.264 9.503 1.00 31.41 O ATOM 573 CB LEU A 41 4.930 -8.050 8.896 1.00 64.00 C ATOM 574 CG LEU A 41 3.960 -6.876 8.764 1.00 42.44 C ATOM 575 CD1 LEU A 41 4.669 -5.660 8.185 1.00 33.53 C ATOM 576 CD2 LEU A 41 2.769 -7.262 7.899 1.00 22.50 C ATOM 0 H LEU A 41 6.593 -9.536 9.969 1.00 0.35 H new ATOM 0 HA LEU A 41 3.974 -8.685 10.714 1.00 3.12 H new ATOM 0 HB2 LEU A 41 5.906 -7.658 9.182 1.00 64.00 H new ATOM 0 HB3 LEU A 41 5.047 -8.511 7.915 1.00 64.00 H new ATOM 0 HG LEU A 41 3.594 -6.619 9.758 1.00 42.44 H new ATOM 0 HD11 LEU A 41 3.963 -4.834 8.098 1.00 33.53 H new ATOM 0 HD12 LEU A 41 5.488 -5.369 8.842 1.00 33.53 H new ATOM 0 HD13 LEU A 41 5.064 -5.904 7.199 1.00 33.53 H new ATOM 0 HD21 LEU A 41 2.089 -6.414 7.816 1.00 22.50 H new ATOM 0 HD22 LEU A 41 3.117 -7.546 6.906 1.00 22.50 H new ATOM 0 HD23 LEU A 41 2.246 -8.103 8.354 1.00 22.50 H new ATOM 588 N PHE A 42 4.233 -10.949 8.312 1.00 55.35 N ATOM 589 CA PHE A 42 3.492 -11.977 7.590 1.00 65.31 C ATOM 590 C PHE A 42 3.543 -13.308 8.335 1.00 1.35 C ATOM 591 O PHE A 42 2.528 -13.792 8.833 1.00 35.02 O ATOM 592 CB PHE A 42 4.060 -12.149 6.179 1.00 15.41 C ATOM 593 CG PHE A 42 3.989 -10.899 5.349 1.00 50.20 C ATOM 594 CD1 PHE A 42 3.008 -10.748 4.382 1.00 2.11 C ATOM 595 CD2 PHE A 42 4.904 -9.875 5.535 1.00 20.12 C ATOM 596 CE1 PHE A 42 2.940 -9.599 3.617 1.00 42.03 C ATOM 597 CE2 PHE A 42 4.841 -8.724 4.773 1.00 13.22 C ATOM 598 CZ PHE A 42 3.858 -8.586 3.812 1.00 65.10 C ATOM 0 H PHE A 42 5.220 -10.887 8.063 1.00 55.35 H new ATOM 0 HA PHE A 42 2.452 -11.658 7.520 1.00 65.31 H new ATOM 0 HB2 PHE A 42 5.099 -12.470 6.251 1.00 15.41 H new ATOM 0 HB3 PHE A 42 3.515 -12.945 5.671 1.00 15.41 H new ATOM 0 HD1 PHE A 42 2.288 -11.537 4.224 1.00 2.11 H new ATOM 0 HD2 PHE A 42 5.675 -9.978 6.284 1.00 20.12 H new ATOM 0 HE1 PHE A 42 2.170 -9.493 2.867 1.00 42.03 H new ATOM 0 HE2 PHE A 42 5.560 -7.933 4.929 1.00 13.22 H new ATOM 0 HZ PHE A 42 3.808 -7.688 3.215 1.00 65.10 H new ATOM 608 N GLY A 43 4.734 -13.894 8.408 1.00 63.25 N ATOM 609 CA GLY A 43 4.896 -15.163 9.093 1.00 61.22 C ATOM 610 C GLY A 43 5.064 -16.324 8.132 1.00 2.41 C ATOM 611 O GLY A 43 4.335 -17.312 8.208 1.00 33.50 O ATOM 0 H GLY A 43 5.590 -13.512 8.005 1.00 63.25 H new ATOM 0 HA2 GLY A 43 5.765 -15.110 9.749 1.00 61.22 H new ATOM 0 HA3 GLY A 43 4.028 -15.343 9.727 1.00 61.22 H new ATOM 615 N PHE A 44 6.027 -16.203 7.224 1.00 30.31 N ATOM 616 CA PHE A 44 6.287 -17.250 6.242 1.00 12.42 C ATOM 617 C PHE A 44 6.633 -18.567 6.930 1.00 73.12 C ATOM 618 O PHE A 44 5.886 -19.541 6.838 1.00 45.14 O ATOM 619 CB PHE A 44 7.427 -16.833 5.311 1.00 50.32 C ATOM 620 CG PHE A 44 8.644 -16.337 6.038 1.00 50.40 C ATOM 621 CD1 PHE A 44 9.430 -17.207 6.776 1.00 74.44 C ATOM 622 CD2 PHE A 44 9.002 -14.999 5.984 1.00 30.13 C ATOM 623 CE1 PHE A 44 10.550 -16.754 7.446 1.00 64.23 C ATOM 624 CE2 PHE A 44 10.122 -14.540 6.652 1.00 72.31 C ATOM 625 CZ PHE A 44 10.896 -15.419 7.384 1.00 2.44 C ATOM 0 H PHE A 44 6.640 -15.391 7.148 1.00 30.31 H new ATOM 0 HA PHE A 44 5.381 -17.395 5.654 1.00 12.42 H new ATOM 0 HB2 PHE A 44 7.707 -17.683 4.689 1.00 50.32 H new ATOM 0 HB3 PHE A 44 7.070 -16.051 4.641 1.00 50.32 H new ATOM 0 HD1 PHE A 44 9.164 -18.252 6.828 1.00 74.44 H new ATOM 0 HD2 PHE A 44 8.399 -14.307 5.414 1.00 30.13 H new ATOM 0 HE1 PHE A 44 11.154 -17.443 8.017 1.00 64.23 H new ATOM 0 HE2 PHE A 44 10.391 -13.495 6.602 1.00 72.31 H new ATOM 0 HZ PHE A 44 11.771 -15.062 7.907 1.00 2.44 H new TER 635 PHE A 44